SCHEMBL7900938

SCHEMBL7900938

CCCCc1nc(C(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.57
AGTR1 P30556 4/20 0.57
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
ABCB11 O95342 1/20 0.57
CYP3A4 P08684 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
PPARG P37231 7/20 0.47
KCNH2 Q12809 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL668023 0.96 AGTR2 (0.61) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7900669 0.91 AGTR2 (0.61) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL12991711 0.91 AGTR2 (0.59) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7907742 0.90 AGTR2 (0.53) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7307295 0.89 AGTR1 (0.60) AGTR2AGTR1PPARGKCNH2
SCHEMBL2844872 0.88 AGTR2 (0.73) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL669266 0.86 AGTR2 (0.66) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL3845228 0.86 AGTR2 (0.57) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7900934 0.85 AGTR2 (0.47) AGTR2AGTR1ABCC3ABCC4ABCB11
SCHEMBL7900660 0.85 AGTR2 (0.54) AGTR2AGTR1ABCC3ABCC4ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545912-B1 1-Biphenylmethylimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-04-25 EP claimed